1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C24H26FN5O4 — CID 126742333

IUPAC1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)O4)c12
InChIInChI=1S/C24H26FN5O4/c1-14(2)20-19-18(29-10-8-24(9-11-29)13-28(3)23(33)34-24)12-17(22(31)32)26-21(19)30(27-20)16-6-4-15(25)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,31,32)
InChIKeyMJUOKUUXKHSQHM-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.80
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742333) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742333
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)O4)c12
InChIInChI=1S/C24H26FN5O4/c1-14(2)20-19-18(29-10-8-24(9-11-29)13-28(3)23(33)34-24)12-17(22(31)32)26-21(19)30(27-20)16-6-4-15(25)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,31,32)
InChIKeyMJUOKUUXKHSQHM-UHFFFAOYSA-N
XLogP3.80
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742333) is 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)O4)c12.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is MJUOKUUXKHSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-14(2)20-19-18(29-10-8-24(9-11-29)13-28(3)23(33)34-24)12-17(22(31)32)26-21(19)30(27-20)16-6-4-15(25)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,31,32).
What are the key properties of 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 467.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).